NP-MRD: Showing NP-Card for tuberculostearic acid (NP0193943)

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Record Information

Version

2.0

Created at

2022-09-04 11:30:52 UTC

Updated at

2022-09-04 11:30:52 UTC

NP-MRD ID

NP0193943

Secondary Accession Numbers

None

Natural Product Identification

Common Name

tuberculostearic acid

Description

Tuberculostearic acid, also known as 10-methyloctadecanoate or 10-methylstearic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. A methyl-branched fatty acid, the structure of which is that of stearic acid carrying a methyl group at C-10. tuberculostearic acid is found in Dicliptera roxburghiana. tuberculostearic acid was first documented in 1987 (PMID: 2885596). Tuberculostearic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 8887930) (PMID: 3329256) (PMID: 14723350) (PMID: 8438134).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 59 58  0  0  0  0  0  0  0  0999 V2000
   -7.2542    1.6285   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2081    1.7361   -1.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0633    0.4384   -1.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6946   -0.7688   -1.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3977   -0.8770   -0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0348    0.0563    0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   -0.3802    1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6046   -0.3671    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -0.7600    0.8069 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2996   -2.1303    1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8282   -0.7557   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -1.1212    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5563   -0.1430    1.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8233   -0.5153    2.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0617   -0.7092    1.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155    0.3314    0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    0.8277   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500    1.8655   -1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9916    1.3136   -1.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2043    0.0830   -1.8602 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781    2.1519   -2.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8837    1.9663    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1631    2.2178   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5718    0.5574    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6389    2.4461   -2.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3200    2.2176   -0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0526    0.2630   -2.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3075    0.5705   -2.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6946   -1.6232   -1.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5518   -1.1272   -0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2360   -1.9280   -0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963   -0.7816   -1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172    1.1119    0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7524    0.0932    1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8590   -1.3997    1.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606    0.2937    2.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706    0.6530   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7997   -1.0448   -0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0978    0.0288    1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516   -2.1707    2.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -2.8916    0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2945   -2.5457    1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915   -1.5136   -1.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9547    0.2610   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381   -2.1373    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -1.2415   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503   -0.2686    2.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779    0.8634    1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119    0.1665    3.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6135   -1.5037    2.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207   -1.1294    2.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9643   -1.6236    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820   -0.0977    0.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    1.2033    1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574   -0.0616   -1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9195    1.1257   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9737    2.6744   -0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193    2.2949   -2.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8782    2.1759   -1.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 21  1  0
 19 20  2  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  1
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 12 46  1  0
 13 47  1  0
 13 48  1  0
 14 49  1  0
 14 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 18 58  1  0
 21 59  1  0
M  END


  Mrv0541 02231219522D          

 21 20  0  0  0  0            999 V2000
   22.1448  -11.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4302  -10.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9999  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7143  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2854  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4288  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5710  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1434  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8564  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9999  -12.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8578  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1420  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5723  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4275  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2868  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7130  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0014  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9985  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7158  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2840  -11.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4302  -11.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0193943

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCC(C)CCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

> <INCHI_KEY>
BEOUGZFCUMNGOU-UHFFFAOYSA-N

> <FORMULA>
C19H38O2

> <MOLECULAR_WEIGHT>
298.5038

> <EXACT_MASS>
298.28718046

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
40.16812738027187

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-methyloctadecanoic acid

> <ALOGPS_LOGP>
8.33

> <JCHEM_LOGP>
7.432739204

> <ALOGPS_LOGS>
-6.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
90.83419999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.15e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tuberculostearic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      41.337 -21.647   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      40.003 -19.337   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      28.000 -21.647   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      29.333 -20.877   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.666 -20.877   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      30.667 -21.647   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      25.333 -21.647   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      32.001 -20.877   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      23.999 -20.877   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      28.000 -23.187   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      33.335 -21.647   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      22.665 -21.647   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      34.668 -20.877   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      21.331 -20.877   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      36.002 -21.647   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.998 -21.647   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      37.336 -20.877   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.664 -20.877   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      38.669 -21.647   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.330 -21.647   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      40.003 -20.877   0.000  0.00  0.00           C+0
CONECT    1   21                                                            
CONECT    2   21                                                            
CONECT    3    4    5   10                                                  
CONECT    4    3    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    9                                                       
CONECT    8    6   11                                                       
CONECT    9    7   12                                                       
CONECT   10    3                                                            
CONECT   11    8   13                                                       
CONECT   12    9   14                                                       
CONECT   13   11   15                                                       
CONECT   14   12   16                                                       
CONECT   15   13   17                                                       
CONECT   16   14   18                                                       
CONECT   17   15   19                                                       
CONECT   18   16   20                                                       
CONECT   19   17   21                                                       
CONECT   20   18                                                            
CONECT   21    1    2   19                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

View in JSmol

Synonyms

Value	Source
10-Methyloctadecanoic acid	ChEBI
10-Methylstearic acid	ChEBI
10-Methyloctadecanoate	Generator
10-Methylstearate	Generator
Tuberculostearate	Generator
10-Methyl-octadecanoate	HMDB
10-Methyl-octadecanoic acid	HMDB
L-(+)-Tuberculostearic acid	HMDB
Tuberculostearic acid	MeSH

Chemical Formula

C₁₉H₃₈O₂

Average Mass

298.5038 Da

Monoisotopic Mass

298.28718 Da

IUPAC Name

10-methyloctadecanoic acid

Traditional Name

tuberculostearic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCC(C)CCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

InChI Key

BEOUGZFCUMNGOU-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Dicliptera roxburghiana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Methyl-branched fatty acid
Branched fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain fatty acid (CHEBI:68565 )
methyl-branched fatty acid (CHEBI:68565 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.33	ALOGPS
logP	7.43	ChemAxon
logS	-6.7	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	90.83 m³·mol⁻¹	ChemAxon
Polarizability	40.17 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0004085

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023306

KNApSAcK ID

Not Available

Chemspider ID

58549

KEGG Compound ID

C16794

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tuberculostearic acid

METLIN ID

4294

PubChem Compound

65037

PDB ID

Not Available

ChEBI ID

68565

Good Scents ID

Not Available

References

General References

Almenoff PL, Brooks JB, Johnson A, Lesser M: Differentiation of sarcoidosis from tuberculosis by use of electron capture gas-liquid chromatography. Lung. 1996;174(6):349-58. doi: 10.1007/BF00164632. [PubMed:8887930 ]
French GL, Teoh R, Chan CY, Humphries MJ, Cheung SW, O'Mahony G: Diagnosis of tuberculous meningitis by detection of tuberculostearic acid in cerebrospinal fluid. Lancet. 1987 Jul 18;2(8551):117-9. doi: 10.1016/s0140-6736(87)92328-2. [PubMed:2885596 ]
Muranishi H, Nakashima M, Tsunematsu H, Shigematsu N, Isobe R: [Rapid diagnosis of pulmonary tuberculosis by detection of tuberculostearic acid with gas chromatography/mass spectrometry]. Kekkaku. 1987 Dec;62(12):627-33. [PubMed:3329256 ]
Traunmuller F, Zeitlinger MA, Stoiser B, Lagler H, Abdel Salam HA, Presterl E, Graninger W: Circulating tuberculostearic acid in tuberculosis patients. Scand J Infect Dis. 2003;35(11-12):790-3. doi: 10.1080/00365540310017032. [PubMed:14723350 ]
Frei R: [Current methods in rapid diagnosis of tuberculosis]. Schweiz Med Wochenschr. 1993 Feb 6;123(5):147-52. [PubMed:8438134 ]
LOTUS database [Link]

Showing NP-Card for tuberculostearic acid (NP0193943)

MOL for NP0193943 (tuberculostearic acid)

3D MOL for NP0193943 (tuberculostearic acid)

3D SDF for NP0193943 (tuberculostearic acid)

3D-SDF for NP0193943 (tuberculostearic acid)

PDB for NP0193943 (tuberculostearic acid)

3D PDB for NP0193943 (tuberculostearic acid)

SMILES for NP0193943 (tuberculostearic acid)

INCHI for NP0193943 (tuberculostearic acid)

Structure for NP0193943 (tuberculostearic acid)

3D Structure for NP0193943 (tuberculostearic acid)